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tert-Butyl (E)-3-(((tert-butyldiphenylsilyl)oxy)methyl)-2-(6-oxohept-4-en-1-yl)-1H-pyrrole-1-carboxylate
SpectraBase Compound ID 1dR3nCOAzyY
InChI InChI=1S/C33H43NO4Si/c1-26(35)17-11-8-16-22-30-27(23-24-34(30)31(36)38-32(2,3)4)25-37-39(33(5,6)7,28-18-12-9-13-19-28)29-20-14-10-15-21-29/h9-15,17-21,23-24H,8,16,22,25H2,1-7H3/b17-11+
InChIKey ZNGCZEIVNGUYLQ-GZTJUZNOSA-N
Mol Weight 545.8 g/mol
Molecular Formula C33H43NO4Si
Exact Mass 545.296135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GldHCE8Tjm8
Name tert-Butyl (E)-3-(((tert-butyldiphenylsilyl)oxy)methyl)-2-(6-oxohept-4-en-1-yl)-1H-pyrrole-1-carboxylate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 545.296135400 u
Formula C33H43NO4Si
InChI InChI=1S/C33H43NO4Si/c1-26(35)17-11-8-16-22-30-27(23-24-34(30)31(36)38-32(2,3)4)25-37-39(33(5,6)7,28-18-12-9-13-19-28)29-20-14-10-15-21-29/h9-15,17-21,23-24H,8,16,22,25H2,1-7H3/b17-11+
InChIKey ZNGCZEIVNGUYLQ-GZTJUZNOSA-N
Instrument Name Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201711439
Molecular Weight 545.795 g/mol
Reported Formula C33H43NO4Si
SMILES C(OC(C)(C)C)(=O)N1C(=C(C=C1)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CCC\C=C\C(C)=O
SPLASH splash10-0002-0900000000-634ff72ee5b880497f2a
Source of Spectrum ACI-57-SM76-13 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.27 (EtOAc/hexane, 10%)
Wiley ID 1890657